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Compounds

COMPOUND NPA003709

STRUCTURE

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PROPERTIES

NPAID	NPA003709
CLUSTER ID	254
NODE ID	11
NAME	Palmarumycin B3
FORMULA	C20H18O8
MOLECULAR WEIGHT (Da)	386.3560
ACCURATE MASS (Da)	386.1002
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Berkleasmium
ORIGIN SPECIES	sp.
InChIKey	PKEIHANGEAWICI-XJOGIRLRSA-N
InChI	InChI=1S/C20H18O8/c21-12-7-8-13(22)19-18(12,28-19)16(24)15(23)17(25)20(19)26-10-5-1-3-9-4-2-6-11(27-20)14(9)10/h1-8,12-13,15-17,21-25H/t12-,13+,15-,16-,17+,18-,19-/m0/s1
SMILES	C1=CC2=C3C(=C1)OC4([C@@H]([C@H]([C@@H]([C@@]56[C@@]4(O5)[C@@H](C=C[C@@H]6O)O)O)O)O)OC3=CC=C2

ORIGINAL ISOLATION REFERENCE

CITATION	Shan, Tijiang; Tian, Jin; Wang, Xiaohan; Mou, Yan; Mao, Ziling; Lai, Daowan; Dai, Jungui; Peng, Youliang; Zhou, Ligang; Wang, Mingan Bioactive spirobisnaphthalenes from the endophytic fungus Berkleasmium sp Journal of Natural Products 2014 77 (10) 2151-2160.
DOI	10.1021/np400988a	PMID	25237727

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Genus	Berkleasmium	MycoBank	358867

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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